Home Carboxys 1H-Benzotriazole-1-carboxylic acid ethyl ester

1H-Benzotriazole-1-carboxylic acid ethyl ester

CAS No.:
830-67-1
Catalog Number:
AG01EXKO
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
95%
1 week
United States
$357
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Product Description
Catalog Number:
AG01EXKO
Chemical Name:
1H-Benzotriazole-1-carboxylic acid ethyl ester
CAS Number:
830-67-1
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD00458105
IUPAC Name:
ethyl benzotriazole-1-carboxylate
InChI:
InChI=1S/C9H9N3O2/c1-2-14-9(13)12-8-6-4-3-5-7(8)10-11-12/h3-6H,2H2,1H3
InChI Key:
WXSAZSZAGNHPPQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)n1nnc2c1cccc2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Rapid C-carboxylation of nitro[(11)C]methane for the synthesis of ethyl nitro[2-(11)C]acetate. Molecular bioSystems 20080101
Properties